[
  {
    "molid": "mol11323",
    "smiles": "Cc1nc2ccccc2cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1nc2ccccc2cc1O",
        "std_free_energy": -5.502547264099121,
        "relative_population": 0.9065242245005916
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1[nH+]c2ccccc2cc1[O-]",
        "std_free_energy": -3.2306318283081055,
        "relative_population": 0.0934757754994084
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1[nH+]c2ccccc2cc1O",
        "std_free_energy": -1.6096705198287964,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1nc2ccccc2cc1[O-]",
        "std_free_energy": 0.28439921140670776,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.16,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 5.61,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]